Methyl 5-bromo-2-chlorobenzoate

Basic Information

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CAS Number

251085-87-7

Molecular Formula

C8H6BrClO2

Molecular Weight

249.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

276.043 ℃ at 760 mmHg

SMILES

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COC(=O)C1=C(C=CC(=C1)Br)Cl

InChI

InChI=1S/C8H6BrClO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

InChIKey

DOVGGQQIXPPXDC-UHFFFAOYSA-N

LogP

2.889100000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

Synonyms & References

English

AKOS003284088
methyl 5-bromo-2-chlorobenzoate
CS-0097740
2-Chloro-5-bromobenzoic acid methyl ester
EN300-412688
Methyl 5-bromo-2-chloro-benzoate
5-bromo-2-chloro-benzoic acid methyl ester
5-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER
Benzoic acid, 5-bromo-2-chloro-, methyl ester
methyl-5-bromo-2-chlorobenzoate
DTXSID50357071
METHYL5-BROMO-2-CHLOROBENZOATE
RKL10124
AM20040018
SCHEMBL195401
DOVGGQQIXPPXDC-UHFFFAOYSA-N
251085-87-7
MFCD00144770
FT-0698096
BKA08587
SY024436
Methyl 5-bromo-2-chlorobenzoate
Benzoic acid,5-bromo-2-chloro-, methyl ester
2-chloro-5-bromobenzoic acid methyl ester
5-bromo-2-chlorobenzoic acid methyl ester
methyl 2-chloro-5-bromobenzoate
methyl 5-bromo-2-chloro-benzoate
PHARMABRIDGE P-1846

MDL Number

MFCD00144770

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 5-bromo-2-chlorobenzoate (CAS: 251085-87-7)?

Methyl 5-bromo-2-chlorobenzoate is a crystalline compound with a molecular weight of approximately 264.03 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophiles, and can undergo substitution reactions. It is typically used in synthetic organic chemistry.

How is methyl 5-bromo-2-chlorobenzoate (CAS: 251085-87-7) typically synthesized?

Methyl 5-bromo-2-chlorobenzoate is commonly synthesized through the bromination of 2-chlorobenzoic acid followed by esterification with methanol. This process involves the use of bromine as a brominating agent and can be carried out using a Lewis acid catalyst, such as aluminum bromide. The reaction yields a product with good selectivity, although purification steps such as recrystallization may be necessary.

What industries use methyl 5-bromo-2-chlorobenzoate (CAS: 251085-87-7)?

Methyl 5-bromo-2-chlorobenzoate is utilized in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry as a precursor in the production of tailored polymers. Additionally, it is used in the sensor industry for developing analytical devices and in semiconductor manufacturing as a component in certain processes.

What precautions should be taken when handling methyl 5-bromo-2-chlorobenzoate (CAS: 251085-87-7)?

When handling methyl 5-bromo-2-chlorobenzoate, it is important to use personal protective equipment (PPE) including gloves and safety glasses. The substance should be stored in a dry, well-ventilated area and in a fume hood during handling to minimize exposure to its vapors. In case of a spill, it should be immediately cleaned up with appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.